← Back to consensus flows

3-(triethoxysilyl)propanenitrile

UUID 2becea19-c553-4261-a949-9ccd6abe93ef
Flow Object IDfo-9eeca81750796563
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 919-31-3
EC Numbers 213-050-5
prefLabel
Language Value Provenance
en 3-(triethoxysilyl)propanenitrile
altLabel
Language Value Provenance
en (2-Cyanoethyl)triethoxysilane
en (β-Cyanoethyl)triethoxysilane
en 3-(Triethoxysilyl)propionitrile
en Cyanoethyltriethoxysilane
en NSC 77092
en Propanenitrile, 3-(triethoxysilyl)-
en Propionitrile, 3-(triethoxysilyl)-
References
Shared Properties
Predicate Value
InChIKey GBQYMXVQHATSCC-UHFFFAOYSA-N, YSEAIRRWZQCBOH-UHFFFAOYSA-N
InChI InChI=1S/C5H12OSi/c1-3-5-7-6-4-2/h3-5H2,1-2H3, InChI=1S/C9H19NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-7,9H2,1-3H3
IUPAC name 3-triethoxysilylpropanenitrile, 3-triethoxysilylpropionitrile
Molecular formula C5H12OSi, C9H19NO3Si
SMILES CCC[Si]OCC, CCO[Si](CCC#N)(OCC)OCC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 2becea19-c553-4261-a949-9ccd6abe93ef 3-(triethoxysilyl)propanenitrile

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 3-(triethoxysilyl)propanenitrile Emissions/Emissions to air/Emissions to air, unspecified kg exactMatch

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 consensus_match group_key=3-(triethoxysilyl)propanenitrile||dimension=Environmental > media=Ground > geography=Unknown; cas=919-31-3; added Common Chemistry CAS names as altLabel: (2-Cyanoethyl)triethoxysilane, (β-Cyanoethyl)triethoxysilane, 3-(Triethoxysilyl)propionitrile, Cyanoethyltriethoxysilane, NSC 77092, Propanenitrile, 3-(triethoxysilyl)-, Propionitrile, 3-(triethoxysilyl)-; object_uuid=fo-9eeca81750796563
cas_match_labels 1 consensus_match group_key=3-(triethoxysilyl)propanenitrile||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'919-31-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9eeca81750796563: {'919-31-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '(2-Cyanoethyl)triethoxysilane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:919-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=919-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(β-Cyanoethyl)triethoxysilane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:919-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=919-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-(Triethoxysilyl)propionitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:919-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=919-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyanoethyltriethoxysilane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:919-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=919-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 77092', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:919-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=919-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanenitrile, 3-(triethoxysilyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:919-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=919-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propionitrile, 3-(triethoxysilyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:919-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=919-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=3-(triethoxysilyl)propanenitrile||dimension=Environmental > media=Ground > geography=Unknown; cas=919-31-3; added Common Chemistry CAS names as altLabel: (2-Cyanoethyl)triethoxysilane, (β-Cyanoethyl)triethoxysilane, 3-(Triethoxysilyl)propionitrile, Cyanoethyltriethoxysilane, NSC 77092, Propanenitrile, 3-(triethoxysilyl)-, Propionitrile, 3-(triethoxysilyl)-; object_uuid=fo-9eeca81750796563
cas_match_labels None {'919-31-3': 'exactMatch'} group_key=3-(triethoxysilyl)propanenitrile||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'919-31-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9eeca81750796563: {'919-31-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "2becea19-c553-4261-a949-9ccd6abe93ef",
  "name": null,
  "cas_numbers": [
    "919-31-3"
  ],
  "ec_numbers": [
    "213-050-5"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 23.47
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 4.7866e-8
    },
    {
      "method_uuid": "9d1d43a2-e1aa-4c16-acd4-3dd8a6a2fb85",
      "name": "Human toxicity, non-cancer_inorganics",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 4.7866e-8
    },
    {
      "method_uuid": "dacd48b5-4da5-49aa-aff4-cd5f5495c037",
      "name": "Ecotoxicity, freshwater_inorganics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 23.47
    }
  ],
  "source": "EF 3.1",
  "identifier": "2becea19-c553-4261-a949-9ccd6abe93ef",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "2becea19-c553-4261-a949-9ccd6abe93ef",
      "source_flow_name": "3-(triethoxysilyl)propanenitrile",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to air",
          "Emissions to air, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "3-(triethoxysilyl)propanenitrile",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "bootstrap_labels",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C5H12OSi",
        "C9H19NO3Si"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13522",
          "CID:18705633"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GBQYMXVQHATSCC-UHFFFAOYSA-N",
        "YSEAIRRWZQCBOH-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13522",
          "CID:18705633"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCC[Si]OCC",
        "CCO[Si](CCC#N)(OCC)OCC"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13522",
          "CID:18705633"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C5H12OSi/c1-3-5-7-6-4-2/h3-5H2,1-2H3",
        "InChI=1S/C9H19NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-7,9H2,1-3H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13522",
          "CID:18705633"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "3-triethoxysilylpropanenitrile",
        "3-triethoxysilylpropionitrile"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13522",
          "CID:18705633"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J21.099D",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13522;CAS:919-31-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[919-31-3]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J295.352H",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:18705633;CAS:919-31-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[919-31-3]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.011.864",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13522;CAS:919-31-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[919-31-3]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=919-31-3",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "919-31-3"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID7027334",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13522;CAS:919-31-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[919-31-3]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=77092",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13522;CAS:919-31-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[919-31-3]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0I8R6D195F",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13522;CAS:919-31-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[919-31-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/13522",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13522;CAS:919-31-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[919-31-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/18705633",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:18705633;CAS:919-31-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[919-31-3]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3181996",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13522;CAS:919-31-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[919-31-3]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27236816",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:13522;CAS:919-31-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[919-31-3]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(2-Cyanoethyl)triethoxysilane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:919-31-3",
          "https://commonchemistry.cas.org/detail?cas_rn=919-31-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(β-Cyanoethyl)triethoxysilane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:919-31-3",
          "https://commonchemistry.cas.org/detail?cas_rn=919-31-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-(Triethoxysilyl)propionitrile",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:919-31-3",
          "https://commonchemistry.cas.org/detail?cas_rn=919-31-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyanoethyltriethoxysilane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:919-31-3",
          "https://commonchemistry.cas.org/detail?cas_rn=919-31-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "NSC 77092",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:919-31-3",
          "https://commonchemistry.cas.org/detail?cas_rn=919-31-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propanenitrile, 3-(triethoxysilyl)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:919-31-3",
          "https://commonchemistry.cas.org/detail?cas_rn=919-31-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propionitrile, 3-(triethoxysilyl)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:919-31-3",
          "https://commonchemistry.cas.org/detail?cas_rn=919-31-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "919-31-3": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/2becea19-c553-4261-a949-9ccd6abe93ef",
        "skos:prefLabel": "3-(triethoxysilyl)propanenitrile",
        "context": "Emissions/Emissions to air/Emissions to air, unspecified",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/2becea19-c553-4261-a949-9ccd6abe93ef"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "flow_object_id": "fo-9eeca81750796563"
}